N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine

C16H27NO — CID 94942

IUPACN,N-diethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCCN(CC)CCOC1=C(C=CC(=C1)C)C(C)C
InChIInChI=1S/C16H27NO/c1-6-17(7-2)10-11-18-16-12-14(5)8-9-15(16)13(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyNWMFJTRBFZCTSP-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.50
Rot. Bonds7

About N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine

N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine (PubChem CID 94942) has the molecular formula C16H27NO and a molecular weight of 249.39 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine
PubChem CID94942
Molecular FormulaC16H27NO
Molecular Weight249.39 g/mol
Exact Mass249.21
IUPAC NameN,N-diethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCCN(CC)CCOC1=C(C=CC(=C1)C)C(C)C
InChIInChI=1S/C16H27NO/c1-6-17(7-2)10-11-18-16-12-14(5)8-9-15(16)13(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyNWMFJTRBFZCTSP-UHFFFAOYSA-N
XLogP4.50
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity213

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
The IUPAC name of N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine (CID 94942) is N,N-diethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
The canonical SMILES for N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine is CCN(CC)CCOC1=C(C=CC(=C1)C)C(C)C.
What is the InChIKey of N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
The InChIKey is NWMFJTRBFZCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17(7-2)10-11-18-16-12-14(5)8-9-15(16)13(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine has a molecular weight of 249.39 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Diethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine is sourced from PubChem (CID 94942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).